Chemical Properties of 1-Propanone, 1-phenyl- (CAS 93-55-0)

1-Propanone, 1-phenyl-

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InChI
InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key
KRIOVPPHQSLHCZ-UHFFFAOYSA-N
Formula
C9H10O
SMILES
CCC(=O)c1ccccc1
Molecular Weight1
134.18
CAS
93-55-0
Other Names
  • 1-Phenyl-1-propanone
  • 1-phenylpropanone
  • Ethyl phenyl ketone
  • Ketone, ethyl phenyl
  • NSC 16937
  • Phenyl ethyl ketone
  • Propionylbenzene
  • Propiophenone
  • USAF EK-1235
Sources

Physical Properties

Property Value Unit Source
PAff 867.40 kJ/mol NIST
BasG 835.60 kJ/mol NIST
Δcliquid -4803.70 ± 1.00 kJ/mol NIST
EA 0.35 ± 0.00 eV NIST
Δf 8.39 kJ/mol Joback Calculated Property
Δfgas -105.14 kJ/mol Joback Calculated Property
Δfliquid -167.20 ± 1.30 kJ/mol NIST
Δfus 14.71 kJ/mol Joback Calculated Property
Δvap 44.65 kJ/mol Joback Calculated Property
IE 9.16 eV NIST
IE 9.27 ± 0.05 eV NIST
logPoct/wat 2.28 Crippen Calculated Property
Pc 3509.58 kPa Joback Calculated Property
Tboil [471.15; 490.90] K Show Hide
Tboil 490.70 K NIST
Tboil 481.15 ± 10.00 K NIST
Tboil 471.15 ± 10.00 K NIST
Tboil 490.85 ± 1.00 K NIST
Tboil 490.90 ± 0.50 K NIST
Tboil 489.15 ± 2.00 K NIST
Tc 704.23 K Joback Calculated Property
Tfus 291.76 ± 0.05 K NIST
Tfus 288.15 ± 1.50 K NIST
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 233.47 J/mol×K 485.87 Joback Calculated Property
η 0.00 Pa×s 485.87 Joback Calculated Property
ΔvapH 44.40 kJ/mol 422.5 NIST
ΔvapH 52.10 kJ/mol 505.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-CH2- 1
-CH3 1
=CH- (ring) 5
>C=O (nonring) 1

Similar Compounds

Phenyl isopropyl ketone. 1-Butanone, 1-phenyl-. 4'-Methylpropiophenone. .alpha.-Cyanoacetophenone. 1-Propanone, 3-chloro-1-phenyl-. 1-Propanone, 3-hydroxy-1-phenyl-. 1-Propanone, 2,2-dimethyl-1-phenyl-. 1-Butanone, 3-methyl-1-phenyl-. Valerophenone. .GAMMA.-chlorobutyrophenone. 1-Propanone, 2-bromo-1-phenyl-. 1-Propanone, 1-(4-hydroxyphenyl)-. Acetophenone. 1-(4-Tolyl)-1-butanone. 1-Butanone, 1,4-diphenyl-.

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